5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C10H15F3N4 — CID 55011492

IUPAC5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1N
InChIInChI=1S/C10H15F3N4/c1-6-8(14)9(16(2)15-6)17(7-3-4-7)5-10(11,12)13/h7H,3-5,14H2,1-2H3
InChIKeyBYKBDWDDZSDMKR-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.84
Rot. Bonds3

About 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 55011492) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID55011492
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1N
InChIInChI=1S/C10H15F3N4/c1-6-8(14)9(16(2)15-6)17(7-3-4-7)5-10(11,12)13/h7H,3-5,14H2,1-2H3
InChIKeyBYKBDWDDZSDMKR-UHFFFAOYSA-N
XLogP1.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 55011492) is 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is Cc1nn(C)c(N(CC(F)(F)F)C2CC2)c1N.
What is the InChIKey of 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is BYKBDWDDZSDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-6-8(14)9(16(2)15-6)17(7-3-4-7)5-10(11,12)13/h7H,3-5,14H2,1-2H3.
What are the key properties of 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 248.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 55011492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).